50 
# 2NiP1 (B3LYP) 
Ni -1.2980670  0.3226770 -0.1399130
O  -3.0045190  0.9658970 -0.1197740
O  -5.1614980  0.3876800  0.0162030
C  -2.0514760 -1.3986840 -0.4721430
H  -2.0562570 -1.4550090 -1.5628860
H  -1.4477850 -2.2092800 -0.0714960
C  -3.4630660 -1.3361300  0.0981450
H  -4.1554790 -2.0331660 -0.3793900
H  -3.4584450 -1.5837490  1.1631570
C  -3.9872430  0.0918950 -0.0136800
P   0.8563730 -0.0238520 -0.0068720
C   1.3864830  1.7924590 -0.2718600
C   1.3343660 -0.5778780  1.7552580
C   1.7245680 -1.1390650 -1.2825990
C   1.5767770 -2.6166050 -0.8841750
C   0.9949170 -0.9871650 -2.6303870
H   1.0999580 -0.0006190 -3.0658130
H   1.4219570 -1.7041180 -3.3348360
H  -0.0661200 -1.2023770 -2.5314120
C   3.2168510 -0.8341170 -1.4708840
H   3.6297640 -1.5414800 -2.1939200
H   3.3914860  0.1640330 -1.8624620
H   3.7825270 -0.9402060 -0.5491770
C   2.8230290 -0.8780500  1.9663650
H   2.9865770 -1.1220450  3.0186640
H   3.1596100 -1.7314320  1.3837710
H   3.4581540 -0.0293880  1.7244020
C   0.4999070 -1.8247970  2.1071080
H   0.7239230 -2.6867850  1.4897190
H   0.7132380 -2.0978800  3.1426850
H  -0.5644980 -1.6142530  2.0266310
C   0.8961140  0.4980660  2.7629290
H  -0.1589550  0.7447080  2.6501140
H   1.0328660  0.0957490  3.7684190
H   1.4805890  1.4106390  2.6984030
H   0.5369390 -2.8934190 -0.7256150
H   2.1492300 -2.8756660  0.0012880
H   1.9569180 -3.2264940 -1.7059800
C   2.7501090  2.1974650  0.2939060
H   2.9277520  3.2522970  0.0698580
H   2.8084030  2.0826960  1.3723520
H   3.5617370  1.6265930 -0.1516850
C   0.2686120  2.6421860  0.3709230
H   0.4518510  3.6965120  0.1514970
H  -0.7183150  2.4249870 -0.0627520
H   0.1978250  2.5364550  1.4461510
C   1.3545940  2.1423350 -1.7684950
H   1.4781510  3.2228140 -1.8656560
H   2.1555010  1.6733110 -2.3315100
H   0.4020620  1.8792940 -2.2257820
